Geometry & MOs

Info

ID:	363643
PubChem CID:	127311744
Reduced:	O2N5C19H35 (1)
Stoich.:	A2B5C19D35 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-81.99
Dipole, Da:	3.69
IP(EA), eV:	-8.78(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-N-[1-(3-hydroxyphenyl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CCNC(=O)N1CCN(CC1)CC(=O)N2CCCCCC2)C3CC3

DOS

IR

Vibrations